ethyl 4-[8-methyl-3-(oxidanylamino)-2-oxidanylidene-7,9-dihydro-6H-pyrrolo[3,2-h]isoquinolin-5-yl]benzoate

Systemtic Name: ethyl 4-[8-methyl-3-(oxidanylamino)-2-oxidanylidene-7,9-dihydro-6H-pyrrolo[3,2-h]isoquinolin-5-yl]benzoate Openeye Name: ethyl 4-[3-(hydroxyamino)-8-methyl-2-oxo-7,9-dihydro-6H-pyrrolo[3,2-h]isoquinolin-5-yl]benzoate CAS Name: 4-[3-(hydroxyamino)-8-methyl-2-oxo-7,9-dihydro-6H-pyrrolo[3,2-h]isoquinolin-5-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(hydroxyamino)-8-methyl-2-oxo-7,9-dihydro-6H-pyrrolo[3,2-h]isoquinolin-5-yl]benzoate Traditional Name: 4-[3-(hydroxyamino)-2-keto-8-methyl-7,9-dihydro-6H-pyrrol[3,2-h]isoquinolin-5-yl]benzoic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC3=C(C(=O)N=C3C4=C2CCN(C4)C)NO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC3=C(C(=O)N=C3C4=C2CCN(C4)C)NO

InChI

InChI=1S/C21H21N3O4/c1-3-28-21(26)13-6-4-12(5-7-13)15-10-16-18(22-20(25)19(16)23-27)17-11-24(2)9-8-14(15)17/h4-7,10,27H,3,8-9,11H2,1-2H3,(H,22,23,25)